2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide

C17H22ClNO2 — CID 133207915

IUPAC2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1
InChIInChI=1S/C17H22ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h6,8-11,16H,2-5,7,12H2,1H3,(H,19,20)
InChIKeySZNQUQGZLMADPO-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide

2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide (PubChem CID 133207915) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide
PubChem CID133207915
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1
InChIInChI=1S/C17H22ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h6,8-11,16H,2-5,7,12H2,1H3,(H,19,20)
InChIKeySZNQUQGZLMADPO-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 28566521
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 43916356
(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674991
(2R)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674990
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide (CID 133207915) is 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide?
The InChIKey is SZNQUQGZLMADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-13-6-4-3-5-7-13/h6,8-11,16H,2-5,7,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide?
2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide has a molecular weight of 307.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide is sourced from PubChem (CID 133207915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).